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DHPS_ECOLI_1_282

Dihydropteroate synthase [DHPS family]

Composition of the binding site

Protein chains monomer [domain annotation]
A1 (DHPS_ECOLI):D: Pterin-binding (20, 22, 62, 63, 96, 115, 117, 139, 185, 190, 215, 217, 221, 255, 257)
R: 6-hydroxymethyl-7,8-dihydropterin diphosphate binding (255, 257)
20, 22, 62, 63, 96, 115, 117, 139, 185, 190, 215, 217, 221, 255, 257

Full PDB list

1aj0, 1aj2, 1ajz

Pocket contact map

[download in TSV format]
   
PDB.ch
   
ligand
A1
I
2
0
N
2
2
T
6
2
R
6
3
D
9
6
N
1
1
5
I
1
1
7
M
1
3
9
D
1
8
5
F
1
9
0
L
2
1
5
G
2
1
7
K
2
2
1
R
2
5
5
H
2
5
7
[1]1aj0.a ph214 . . . . . . . . . . . . . . .
[1]1aj2.a 2ph22 . . . . . . . . . . . . . . .
[1]1ajz.a none . . . . . . . . . . . . . . .

Legend

B backbone contact  S side chain contact  F BB + SCh
.
 no contact C covalent bond
X mutation to X * complex cases - deletion
M contact with cofactors/metals (if any)

Site contact map

[download in TSV format]
   
PDB.ch
A1
I
2
0
N
2
2
T
6
2
R
6
3
D
9
6
N
1
1
5
I
1
1
7
M
1
3
9
D
1
8
5
F
1
9
0
L
2
1
5
G
2
1
7
K
2
2
1
R
2
5
5
H
2
5
7
[1]1aj0.a . . . . . . . . . . . . . . .
[1]1aj2.a . . . . . . . . . . . . . . .
[1]1ajz.a . . . . . . . . . . . . . . .

Legend

B backbone contact  S side chain contact  F BB + SCh
.
 no contact C covalent bond
X X X X X  clash
X mutation to X * complex cases - deletion
M contact with cofactors/metals (if any)

Pocket-ligand steric compatibility

Ligands (x) vs pockets (y) colored by number of steric clashes

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pocketligand
≥10
9
8
7
6
5
4
3
2
1
0
1aj0.a:ph2
1aj2.a:2ph
1ajz.a is apo
[1] 1aj0.a
0
0 -
[1] 1aj2.a 0
0
-
[1] 1ajz.a 0.5 0.4
-
[Pocket-ligand steric clashes matrix]

Pocket clash dissimilarity (1 cluster)

Pockets (x) vs pockets (y) colored by ligand clash profile difference

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pocketpocket
≥1.
.9
.8
.7
.6
.5
.4
.3
.2
.1
.0
1aj0.a
1aj2.a
1ajz.a
[1] 1aj0.a
0
0 .03
[1] 1aj2.a 0
0
.03
[1] 1ajz.a .03 .03
0
[Pocket clash dissimilarity matrix]

Site backbone RMSD (median 0.6 Å)

Pockets (x) vs pockets (y) colored by RMSD of site residue backbone atoms

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pocketpocket
≥10 Å
9 Å
8 Å
7 Å
6 Å
5 Å
4 Å
3 Å
2 Å
1 Å
0 Å
1aj0.a
1aj2.a
1ajz.a
[1] 1aj0.a
0
0.3 0.3
[1] 1aj2.a 0.3
0
0.4
[1] 1ajz.a 0.3 0.4
0
[Binding site backbone RMSD matrix]

Site full-atom RMSD (median 0.3 Å)

Pockets (x) vs pockets (y) colored by RMSD of all site residue atoms

zoom: [−] [+]; [view as image]; [download as text]

pocketpocket
≥10 Å
9 Å
8 Å
7 Å
6 Å
5 Å
4 Å
3 Å
2 Å
1 Å
0 Å
1aj0.a
1aj2.a
1ajz.a
[1] 1aj0.a
0
0.6 0.7
[1] 1aj2.a 0.6
0
0.8
[1] 1ajz.a 0.7 0.8
0
[Binding site full-atom RMSD matrix]







[show 3D visualization]

[ENTRY 2D visualization]

L C X E | Background Color: | Anaglyph Stereo:

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